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7FF

Summary
Name:methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate
Formula:C11 H14 N2 O2
Formal charge:0
Formula weight:206.241 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6methyl 6-azanyl-3,4-dihydro-2~{H}-quinoline-1-carboxylate

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C11H14N2O2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6,12H2,1H3
InChIKeyInChI1.03NRFKTHKRWVPCRM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COC(=O)N1CCCc2cc(N)ccc12
SMILESCACTVS3.385COC(=O)N1CCCc2cc(N)ccc12
SMILES_CANONICALOpenEye OEToolkits2.0.6COC(=O)N1CCCc2c1ccc(c2)N
SMILESOpenEye OEToolkits2.0.6COC(=O)N1CCCc2c1ccc(c2)N

222926

PDB entries from 2024-07-24

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